3-Phenoxy-benzeneethanol

Base Information

• Chemical Name: 3-Phenoxy-benzeneethanol
• CAS No.: 115150-60-2
• Molecular Formula: C₁₄H₁₄O₂
• Molecular Weight: 214.264
• DSSTox Substance ID: DTXSID701313467
• Mol file: 115150-60-2.mol

Synonyms:3-Phenoxy-benzeneethanol;115150-60-2;3-Phenoxybenzeneethanol;2-(3-Phenoxyphenyl)ethan-1-ol;2-(3-phenoxyphenyl)ethanol;SCHEMBL2347947;YJZMOGMEPRRAFV-UHFFFAOYSA-N;DTXSID701313467;AKOS014195524;CS-0451795;EN300-1869198

Chemical Property of 3-Phenoxy-benzeneethanol

Chemical Property:

• Boiling Point: 150-152 °C(Press: 1.5 Torr)
• Density: 1.125±0.06 g/cm3(Predicted)
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 214.099379685
• Heavy Atom Count: 16
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

3-Phenoxy-benzeneethanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)CCO

Technology Process of 3-Phenoxy-benzeneethanol

There total 5 articles about 3-Phenoxy-benzeneethanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-hydroxy-benzeneacetic acid, methyl ester (42058-59-3) → 2-(3-phenoxyphenyl)ethanol (115150-60-2)

Guidance literature:

Multi-step reaction with 2 steps

1: copper diacetate; pyridine / 1,2-dichloro-ethane / 20 °C / Molecular sieve

2: lithium aluminium tetrahydride / tetrahydrofuran / 0.33 h / 0 - 20 °C

With pyridine; lithium aluminium tetrahydride; copper diacetate; In tetrahydrofuran; 1,2-dichloro-ethane; 1: |Chan-Lam Coupling;

DOI:10.1021/acs.jmedchem.7b01570

Reference yield:

methyl 2-(3-phenoxyphenyl)acetate (96943-10-1) → 2-(3-phenoxyphenyl)ethanol (115150-60-2)

Guidance literature:

With lithium borohydride; In tetrahydrofuran; at 10 - 35 ℃; for 48h;

Reference yield:

(3-phenoxyphenyl)acetic acid (32852-81-6) → 2-(3-phenoxyphenyl)ethanol (115150-60-2)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 20 ℃; for 2h;

upstream raw materials:

methyl 2-(3-phenoxyphenyl)acetate

(3-phenoxyphenyl)acetic acid

m-hydroxyphenylacetic acid

3-hydroxy-benzeneacetic acid, methyl ester

Downstream raw materials:

2--(6--methoxynaphthalen--2--yl)acetaldehyde